UCSF

ZINC42424478

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.71 6.22 -24.57 2 4 1 47 287.383 4
Mid Mid (pH 6-8) 2.71 5.9 -9.82 1 4 0 46 286.375 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )